Sugi Predict

Sugi Predict / Compounds / SCHEMBL1446522

SCHEMBL1446522

SCHEMBL1446522

Nc1cc(OCc2ccccc2)c(O[C@H]2CCOC2)cc1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 10/20 0.46
▸ PDE4A P27815 5/20 0.46
▸ PDE4B Q07343 5/20 0.46
▸ PDE4C Q08493 5/20 0.46
▸ HTT P42858 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ PTGER1 P34995 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1446525 1.00 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL1973558 0.88 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CCTSL
SCHEMBL1446276 0.85 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CCTSL
SCHEMBL1446281 0.85 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CCTSL
SCHEMBL1446554 0.84 KAT2B (0.44) PDE4DPDE4APDE4BPDE4CPTGER1
SCHEMBL20897407 0.82 HTT (0.55) HTTALDH1A1TDP1
SCHEMBL1973822 0.82 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CCTSL
SCHEMBL1446438 0.79 CTSV (0.42) CTSLALDH1A1TDP1
SCHEMBL7219195 0.78 C5AR1 (0.48) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL23459152 0.77 KDM4E (0.52) HTTCTSLALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 — — US disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 — — US disclosed
US-7910731-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-03-22 — — US disclosed
US-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 — — US disclosed
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2009-02-05 — — US disclosed
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2006-11-30 — — US disclosed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 — — US disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 — — US disclosed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 — — US disclosed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD PDE4D 1290/4885PDE4A 1209/4885PDE4B 680/4885
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 PDE4D 1327/4885PDE4A 1278/4885PDE4B 739/4885
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD PDE4D 1290/4885PDE4A 1209/4885PDE4B 680/4885
US-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BPHL, CYP11B2, MAP3K1 PDE4D 1604/4885PDE4A 1085/4885PDE4B 1214/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD PDE4D 1290/4885PDE4A 1209/4885PDE4B 680/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 PDE4D 1818/4885PDE4A 1697/4885PDE4B 1557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.